4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine

C17H27N5O2 — CID 23492227

IUPAC4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine
SMILESCCC1CCCCN1c1ncnc(N2CCC(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C17H27N5O2/c1-3-14-6-4-5-9-21(14)17-15(22(23)24)16(18-12-19-17)20-10-7-13(2)8-11-20/h12-14H,3-11H2,1-2H3
InChIKeyRSYYOJNXYOPOAC-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.39
Rot. Bonds4

About 4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine

4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine (PubChem CID 23492227) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine
PubChem CID23492227
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine
SMILESCCC1CCCCN1c1ncnc(N2CCC(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C17H27N5O2/c1-3-14-6-4-5-9-21(14)17-15(22(23)24)16(18-12-19-17)20-10-7-13(2)8-11-20/h12-14H,3-11H2,1-2H3
InChIKeyRSYYOJNXYOPOAC-UHFFFAOYSA-N
XLogP3.39
TPSA75.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23492412
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80798120
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
N-ethyl-6-(4-methylazepan-1-yl)-5-nitropyrimidin-4-amine
CID 80833797
6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 23487487
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
6-(4-methylazepan-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80816853
4-(2-ethylpiperidin-1-yl)-5-nitro-1H-pyrimidin-6-one
CID 135817345
4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 23492185
N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23478680
6-(2-ethylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23492438

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine (CID 23492227) is 4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine is CCC1CCCCN1c1ncnc(N2CCC(C)CC2)c1[N+](=O)[O-].
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine?
The InChIKey is RSYYOJNXYOPOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-14-6-4-5-9-21(14)17-15(22(23)24)16(18-12-19-17)20-10-7-13(2)8-11-20/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine?
4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine has a molecular weight of 333.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine is sourced from PubChem (CID 23492227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).